Home Carboxys ethyl 4-oxo-2-(trifluoromethyl)cyclohex-2-ene-1-carboxylate

ethyl 4-oxo-2-(trifluoromethyl)cyclohex-2-ene-1-carboxylate

CAS No.:
135787-54-1
Catalog Number:
AG01EM2T
Molecular Formula:
C10H11F3O3
Molecular Weight:
236.1877
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EM2T
Chemical Name:
ethyl 4-oxo-2-(trifluoromethyl)cyclohex-2-ene-1-carboxylate
CAS Number:
135787-54-1
Molecular Formula:
C10H11F3O3
Molecular Weight:
236.1877
MDL Number:
MFCD26686109
IUPAC Name:
ethyl 4-oxo-2-(trifluoromethyl)cyclohex-2-ene-1-carboxylate
InChI:
InChI=1S/C10H11F3O3/c1-2-16-9(15)7-4-3-6(14)5-8(7)10(11,12)13/h5,7H,2-4H2,1H3
InChI Key:
QBRWPPHCYXMELT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=O)C=C1C(F)(F)F
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.066g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.19g/mol
Monoisotopic Mass:
236.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties